CID 297552

Tetrafluoroisophthalic acid

Structural Information

Molecular Formula
C8H2F4O4
SMILES
C1(=C(C(=C(C(=C1F)F)F)C(=O)O)F)C(=O)O
InChI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)
InChIKey
PGRIMKUYGUHAKH-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrafluorobenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1178
Patents

237.98892 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99620 137.4
[M+Na]+ 260.97814 148.9
[M-H]- 236.98164 134.7
[M+NH4]+ 256.02274 154.2
[M+K]+ 276.95208 145.8
[M+H-H2O]+ 220.98618 129.3
[M+HCOO]- 282.98712 154.2
[M+CH3COO]- 297.00277 188.8
[M+Na-2H]- 258.96359 137.0
[M]+ 237.98837 133.4
[M]- 237.98947 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe